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Review V1 configuration and add documentation#147

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mattldawson merged 5 commits intomainfrom
develop-138-review
Aug 28, 2025
Merged

Review V1 configuration and add documentation#147
mattldawson merged 5 commits intomainfrom
develop-138-review

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@mattldawson
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This PR makes minor updates to the V1 configuration format in preparation for a final V1 release. It also adds documentation for V1 format. It also creates a new "development" version example that can be used for in-progress mechanism components (e.g., condensed-phase reactions), and removes all condensed-phase reactions from the V1 documentation.

Subsequent PRs will create a development parser that will contain all existing parsing logic from the V1 parser, after which, any parsing logic not required to support the V1 format in the documentation will be removed from the V1 parser.

The surface reaction was modified to remove the condensed phase. This will be re-added to the development parser once it is created.

closes #138

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📄 Documentation for this branch is available at: https://ncar.github.io/MechanismConfiguration/branch/develop-138-review/

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Pull Request Overview

This PR finalizes the V1 configuration format by removing condensed-phase reactions and adding comprehensive documentation. It prepares for the V1 release while creating a development version that maintains all existing parsing capabilities.

  • Removes condensed-phase components from the V1 surface reaction configuration and parser
  • Adds complete V1 documentation including reaction types, phases, species, and examples
  • Creates a new development configuration that preserves all condensed-phase reaction functionality

Reviewed Changes

Copilot reviewed 47 out of 67 changed files in this pull request and generated 2 comments.

Show a summary per file
File Description
test/unit/v1/v1_unit_configs/reactions/surface/*.yaml/json Removes condensed phase references from surface reaction test configurations
test/unit/v1/reactions/test_parse_surface.cpp Updates surface reaction tests to remove condensed phase validation
test/integration/test_v1_parser.cpp Updates V1 parser tests to reflect simplified configuration
test/integration/test_development_parser.cpp Adds new test file for development parser with full feature set
src/v1/reactions/surface_parser.cpp Removes condensed phase parsing logic from V1 surface parser
include/mechanism_configuration/v1/reaction_types.hpp Removes condensed_phase field from Surface reaction type
examples/v1/full_configuration.yaml/json Simplifies V1 examples to gas-phase only reactions
examples/development/full_configuration.yaml/json Creates development examples with all reaction types
docs/source/v1/** Adds comprehensive V1 documentation for all components

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Comment thread docs/source/v1/reactions/ternary_chemical_activation.rst Outdated
Comment thread examples/development/full_configuration.yaml Outdated
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codecov-commenter commented Aug 27, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 86.95%. Comparing base (856ebb3) to head (41815bb).
⚠️ Report is 1 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #147   +/-   ##
=======================================
  Coverage   86.95%   86.95%           
=======================================
  Files           3        3           
  Lines          23       23           
=======================================
  Hits           20       20           
  Misses          3        3           

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

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  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

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Looks good! Just curious, what's the reason for including the zip file in the repo? eg. docs/source/_static/examples/v1/json/chapman/chapman.zip?

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Looks good! Just curious, what's the reason for including the zip file in the repo? eg. docs/source/_static/examples/v1/json/chapman/chapman.zip?

I think that's what MusicBox Interactive uses when someone tries to download an example configuration. (But, I'm not sure about that)

@mattldawson mattldawson merged commit e430ee2 into main Aug 28, 2025
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@mattldawson mattldawson deleted the develop-138-review branch August 28, 2025 15:20
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Review gas-phase configurations

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